[3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium(3+)

C13H19O2Y+2 — CID 20645085

IUPAC[3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium(3+)
SMILESCOCC(C)(COC)Cc1cc[c-]cc1.[Y+3]
InChIInChI=1S/C13H19O2.Y/c1-13(10-14-2,11-15-3)9-12-7-5-4-6-8-12;/h5-8H,9-11H2,1-3H3;/q-1;+3
InChIKeyFIPIERCQEKLTGE-UHFFFAOYSA-N
MW296.20 g/mol
LogP2.33
Rot. Bonds6

About [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium(3+)

[3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium(3+) (PubChem CID 20645085) has the molecular formula C13H19O2Y+2 and a molecular weight of 296.20 g/mol. Its IUPAC name is [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium(3+).

Molecular Properties

Compound Name[3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium(3+)
PubChem CID20645085
Molecular FormulaC13H19O2Y+2
Molecular Weight296.20 g/mol
Exact Mass296.04
IUPAC Name[3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium(3+)
SMILESCOCC(C)(COC)Cc1cc[c-]cc1.[Y+3]
InChIInChI=1S/C13H19O2.Y/c1-13(10-14-2,11-15-3)9-12-7-5-4-6-8-12;/h5-8H,9-11H2,1-3H3;/q-1;+3
InChIKeyFIPIERCQEKLTGE-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium(3+)?
The IUPAC name of [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium(3+) (CID 20645085) is [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium(3+).
What is the SMILES notation for [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium(3+)?
The canonical SMILES for [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium(3+) is COCC(C)(COC)Cc1cc[c-]cc1.[Y+3].
What is the InChIKey of [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium(3+)?
The InChIKey is FIPIERCQEKLTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O2.Y/c1-13(10-14-2,11-15-3)9-12-7-5-4-6-8-12;/h5-8H,9-11H2,1-3H3;/q-1;+3.
What are the key properties of [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium(3+)?
[3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium(3+) has a molecular weight of 296.20 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(methoxymethyl)-2-methylpropyl]benzene;yttrium(3+) is sourced from PubChem (CID 20645085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).